SCHEMBL2300867

SCHEMBL2300867

Cc1cc(-n2ncc(C(=O)O)c2C(F)(F)F)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KEAP1 Q14145 6/20 0.53
NFE2L2 Q16236 6/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.52
MC4R P32245 1/20 0.52
CRHR2 Q13324 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TRPC3 Q13507 2/20 0.44
NOTUM Q6P988 1/20 0.44
CTSB P07858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCR1 P32246 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2294536 0.88 MAPT (0.66) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2300568 0.81 MAPT (0.76) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2064195 0.81 MAPT (0.76) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2850399 0.81 MAPT (0.74) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL1403581 0.81 NOTUM (0.54) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2871525 0.80 MAPT (0.72) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2858203 0.79 MAPT (0.68) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL21605034 0.79 MAPT (0.63) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL30147963 0.79 MAPT (0.63) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL15804084 0.79 L3MBTL1 (0.46) MAPTPOLBALDH1A1KDM4EL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 MAPT 4760/4885POLB 3979/4885SMN1; SMN2 1771/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.